N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-oxidanyl-pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-oxidanyl-pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-hydroxy-pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-hydroxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[[(3S,4S)-1-[4-(4-bromophenyl)cyclohexyl]-4-hydroxy-pyrrolidin-3-yl]amino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C26H29BrF3N3O3 MolecularWeight: 568.42597

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)Br)N3CC(C(C3)O)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)Br)N3C[C@@H]([C@H](C3)O)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H29BrF3N3O3/c27-20-8-4-16(5-9-20)17-6-10-21(11-7-17)33-14-22(23(34)15-33)32-24(35)13-31-25(36)18-2-1-3-19(12-18)26(28,29)30/h1-5,8-9,12,17,21-23,34H,6-7,10-11,13-15H2,(H,31,36)(H,32,35)/t17?,21?,22-,23-/m0/s1